[4-(4-cyanophenyl)phenyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H29N3O5S/c30-21-22-4-6-23(7-5-22)24-8-10-25(11-9-24)37-29(33)27-20-26(38(34,35)32-14-2-1-3-15-32)12-13-28(27)31-16-18-36-19-17-31/h4-13,20H,1-3,14-19H2